2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine

C5H11N3O — CID 175775572

IUPAC2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine
SMILES[2H]C1([2H])N(C)CCN(N=O)C1([2H])[2H]
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i2D2,4D2
InChIKeyCEAIOKFZXJMDAS-BYUTVXSXSA-N
MW133.19 g/mol
LogP-0.08
Rot. Bonds1

About 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine

2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine (PubChem CID 175775572) has the molecular formula C5H11N3O and a molecular weight of 133.19 g/mol. Its IUPAC name is 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine.

Molecular Properties

Compound Name2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine
PubChem CID175775572
Molecular FormulaC5H11N3O
Molecular Weight133.19 g/mol
Exact Mass133.12
IUPAC Name2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine
SMILES[2H]C1([2H])N(C)CCN(N=O)C1([2H])[2H]
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i2D2,4D2
InChIKeyCEAIOKFZXJMDAS-BYUTVXSXSA-N
XLogP-0.08
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

N,N'-Dinitrosopiperazine
CID 8819
1-Methyl-4-nitrosopiperazine
CID 27826
N1,N1,N2-Trimethyl-N2-nitroso-1,2-ethanediamine
CID 146842
1,2,6-Trimethyl-4-nitrosopiperazine
CID 150692
C4D8N4O2
CID 121487925
1-Ethyl-4-nitrosopiperazine
CID 12554624
1-Nitroso-3,4,5-trimethylpiperazine
CID 127543
[2-(Dimethylamino)ethyl](ethyl)nitrosoamine
CID 156620436
N-Methyl-N'-nitrosopiperazine-d4
CID 145743995
1-Methyl-4-nitropiperazine
CID 13708297
1-Nitroso-4-propylpiperazine
CID 23461664
Piperazinium, 1,1-dimethyl-4-nitroso-, iodide
CID 157740

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine?
The IUPAC name of 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine (CID 175775572) is 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine.
What is the SMILES notation for 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine?
The canonical SMILES for 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine is [2H]C1([2H])N(C)CCN(N=O)C1([2H])[2H].
What is the InChIKey of 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine?
The InChIKey is CEAIOKFZXJMDAS-BYUTVXSXSA-N. The full InChI is InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i2D2,4D2.
What are the key properties of 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine?
2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine has a molecular weight of 133.19 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetradeuterio-1-methyl-4-nitrosopiperazine is sourced from PubChem (CID 175775572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).